In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AFS |
---|---|
Common Name | SM(d14:1(4E)/30:0) |
Systematic Name | N-(triacontanoyl)-4E-tetradecasphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C49H99N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | FYNGZUUXWDWQMP-MVUJCARGSA-N |
InChI | InChI=1S/C49H99N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-3 0-31-32-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42- 40-38-36-34-15-13-11-9-7-2/h40,42,47-48,52H,6-39,41,43-46H2,1-5H3,(H-,50,53,54,5 5)/b42-40+/t47-,48+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]( [H])(O)/C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |